#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o6x s ARG 2 N 0.00 2.84 0.53 0.03 1.70 -1.26 -5.10 118.95 117.70 1o6x s ARG 2 Ca 0.00 0.22 0.08 0.00 -0.47 0.00 0.00 55.73 55.56 1o6x s ARG 2 Cb 0.00 -2.14 0.08 0.00 -0.57 0.00 0.00 34.95 32.32 1o6x s ARG 2 CO 0.00 -0.90 0.63 0.43 -1.08 0.00 0.00 175.30 174.37 1o6x n SER 3 N -2.82 2.17 -4.20 -2.89 7.64 -1.26 -5.10 113.62 107.16 1o6x n SER 3 Ca 0.06 -2.53 -0.29 0.00 1.01 0.00 0.00 58.87 57.12 1o6x n SER 3 Cb 0.58 -0.28 0.27 0.00 -1.01 0.00 0.00 64.21 63.76 1o6x n SER 3 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1o6x s LEU 4 N 0.00 0.18 0.49 -3.43 0.05 -1.26 -5.05 118.68 109.66 1o6x s LEU 4 Ca 0.48 1.31 0.04 0.00 0.05 0.00 0.00 54.13 56.00 1o6x s LEU 4 Cb -0.04 -3.06 -0.02 0.00 -2.05 0.00 0.00 46.19 41.03 1o6x s LEU 4 CO 0.30 -4.61 0.12 -0.70 -0.55 0.00 0.00 176.35 170.91 1o6x s GLU 5 N -4.61 2.18 0.00 1.48 2.12 -1.26 -5.14 118.70 113.48 1o6x s GLU 5 Ca 0.69 -2.19 0.00 0.00 0.36 0.00 0.00 54.97 53.82 1o6x s GLU 5 Cb -0.22 -1.74 0.00 0.00 0.26 0.00 0.00 34.13 32.43 1o6x s GLU 5 CO 0.63 -0.34 0.00 0.25 -0.54 0.00 0.00 175.26 175.26 1o6x n THR 6 N -1.33 0.00 -4.04 -1.70 -2.24 -1.26 -5.06 114.28 98.64 1o6x n THR 6 Ca -0.11 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.65 1o6x n THR 6 Cb 0.66 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.88 1o6x n THR 6 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1o6x n PHE 7 N -2.55 0.01 -0.87 4.78 7.35 -1.26 -5.17 117.46 119.75 1o6x n PHE 7 Ca 0.00 -0.22 0.00 0.00 -0.76 0.00 0.00 57.45 56.47 1o6x n PHE 7 Cb 0.00 -0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1o6x n PHE 7 CO 0.00 0.00 0.00 1.55 -0.76 0.00 0.00 176.76 177.55 1o6x n VAL 8 N -0.08 0.00 -3.37 -2.13 3.14 -1.26 -5.15 118.33 109.47 1o6x n VAL 8 Ca -0.01 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.34 1o6x n VAL 8 Cb 0.05 -0.05 0.01 0.00 -1.06 0.00 0.00 33.84 32.79 1o6x n VAL 8 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1o6x n GLY 9 N 5.00 1.48 2.55 7.55 0.00 -1.26 -5.13 105.19 115.38 1o6x n GLY 9 Ca 0.00 -1.09 -0.21 0.00 0.00 0.00 0.00 46.02 44.71 1o6x n GLY 9 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1o6x n ASP 10 N -1.16 -1.42 -3.62 1.61 9.92 -1.26 -3.36 116.55 117.27 1o6x n ASP 10 Ca -0.03 -1.05 -0.11 0.00 -0.53 0.00 0.00 54.79 53.07 1o6x n ASP 10 Cb 0.24 -0.72 -0.07 0.00 -0.64 0.00 0.00 41.12 39.94 1o6x n ASP 10 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1o6x s GLN 11 N -4.83 0.65 0.44 -1.24 0.74 0.18 -4.65 119.66 110.95 1o6x s GLN 11 Ca 0.51 0.62 0.05 0.00 0.05 0.00 0.00 55.36 56.59 1o6x s GLN 11 Cb -0.04 0.32 0.01 0.00 1.10 0.00 0.00 33.01 34.39 1o6x s GLN 11 CO 0.39 -0.11 0.62 0.08 -0.55 0.00 0.00 175.29 175.72 1o6x s VAL 12 N -0.01 3.26 -0.10 1.34 1.01 -1.26 0.53 120.40 125.18 1o6x s VAL 12 Ca 0.01 -0.84 -0.18 0.00 0.00 0.00 0.00 61.98 60.96 1o6x s VAL 12 Cb -0.04 -3.15 0.04 0.00 0.00 0.00 0.00 36.38 33.23 1o6x s VAL 12 CO -0.02 -0.08 0.45 -1.48 0.00 0.00 0.00 175.10 173.97 1o6x s LEU 13 N -4.46 0.28 -0.27 3.92 0.05 -1.15 -3.40 118.68 113.66 1o6x s LEU 13 Ca 0.53 0.60 -0.12 0.00 0.05 0.00 0.00 54.13 55.19 1o6x s LEU 13 Cb -0.10 1.66 -0.05 0.00 -2.05 0.00 0.00 46.19 45.65 1o6x s LEU 13 CO 0.35 -0.34 0.23 -1.61 -0.55 0.00 0.00 176.35 174.42 1o6x s GLU 14 N -0.57 3.99 -0.05 1.48 2.02 0.17 -3.60 118.70 122.14 1o6x s GLU 14 Ca -0.07 -0.22 0.03 0.00 0.02 0.00 0.00 54.97 54.73 1o6x s GLU 14 Cb -0.03 -3.64 -0.03 0.00 0.10 0.00 0.00 34.13 30.53 1o6x s GLU 14 CO 0.04 -0.16 -0.13 0.42 0.02 0.00 0.00 175.26 175.45 1o6x s ILE 15 N 1.69 3.21 -0.46 -1.63 1.01 -0.46 0.13 121.20 124.69 1o6x s ILE 15 Ca 0.09 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 60.10 1o6x s ILE 15 Cb -0.16 -2.27 0.13 0.00 0.01 0.00 0.00 42.46 40.17 1o6x s ILE 15 CO 0.10 0.59 0.22 -0.69 0.00 0.00 0.00 174.94 175.16 1o6x s VAL 16 N -0.74 2.00 0.50 2.92 1.01 -0.44 -1.00 120.40 124.65 1o6x s VAL 16 Ca 0.11 -2.81 -0.08 0.00 0.00 0.00 0.00 61.98 59.20 1o6x s VAL 16 Cb -0.11 -2.41 0.12 0.00 0.00 0.00 0.00 36.38 33.98 1o6x s VAL 16 CO 0.01 -0.81 0.55 -0.81 0.00 0.00 0.00 175.10 174.04 1o6x n PRO 17 N 3.50 -1.28 0.00 2.72 -0.04 -1.26 -4.41 135.00 134.24 1o6x n PRO 17 Ca 0.06 -0.86 0.00 0.00 -0.04 0.00 0.00 63.50 62.66 1o6x n PRO 17 Cb 0.35 -0.68 0.00 0.00 -0.04 0.00 0.00 33.50 33.13 1o6x n PRO 17 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1o6x n SER 18 N -3.61 0.00 -4.71 3.54 2.88 -1.26 -3.86 113.62 106.60 1o6x n SER 18 Ca 0.07 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.26 1o6x n SER 18 Cb 0.26 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.63 1o6x n SER 18 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1o6x s ASN 19 N 0.00 5.56 0.42 -3.46 0.01 -1.26 -4.80 114.94 111.41 1o6x s ASN 19 Ca 0.00 0.19 0.18 0.00 -0.71 0.00 0.00 52.86 52.52 1o6x s ASN 19 Cb 0.00 -1.72 1.10 0.00 0.41 0.00 0.00 41.25 41.03 1o6x s ASN 19 CO 0.00 0.34 1.85 -0.33 -1.51 0.00 0.00 177.10 177.45 1o6x h GLU 20 N 5.49 0.38 -0.66 -0.60 3.07 -2.00 0.46 114.58 120.72 1o6x h GLU 20 Ca -0.48 -0.02 0.04 0.00 -0.50 0.00 0.00 59.36 58.40 1o6x h GLU 20 Cb 1.20 -0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 28.98 1o6x h GLU 20 CO 0.59 0.25 0.44 1.49 -1.40 0.00 0.00 179.01 180.38 1o6x h GLU 21 N 0.39 0.74 -0.15 2.33 4.22 -1.96 1.85 114.58 122.00 1o6x h GLU 21 Ca 0.48 -0.04 -0.13 0.00 0.08 0.00 0.00 59.36 59.74 1o6x h GLU 21 Cb 1.21 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1o6x h GLU 21 CO -0.18 0.49 -0.41 1.96 -2.18 0.00 0.00 179.01 178.68 1o6x h GLN 22 N 0.76 0.54 -0.09 1.92 4.20 -0.43 -2.15 115.11 119.87 1o6x h GLN 22 Ca 0.27 -0.38 -0.16 0.00 0.06 0.00 0.00 58.65 58.44 1o6x h GLN 22 Cb 0.12 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1o6x h GLN 22 CO -0.08 1.00 -0.63 0.82 -0.67 0.00 0.00 178.83 179.27 1o6x h ILE 23 N 0.17 1.38 0.00 2.54 2.04 -0.75 -2.34 117.51 120.55 1o6x h ILE 23 Ca -0.01 -2.01 0.00 0.00 1.00 0.00 0.00 64.86 63.84 1o6x h ILE 23 Cb 1.03 2.01 0.00 0.00 -0.74 0.00 0.00 36.82 39.12 1o6x h ILE 23 CO 0.09 0.60 0.00 0.11 0.00 0.00 0.00 178.15 178.95 1o6x h LYS 24 N 0.23 0.00 0.19 2.37 1.57 0.29 -2.49 116.57 118.73 1o6x h LYS 24 Ca -0.01 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.47 1o6x h LYS 24 Cb 1.16 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.49 1o6x h LYS 24 CO 0.10 0.00 -1.39 -0.91 -0.57 0.00 0.00 179.45 176.68 1o6x h ASN 25 N 0.00 0.63 0.54 0.86 2.35 -0.85 -3.01 115.58 116.09 1o6x h ASN 25 Ca 0.00 -0.92 -0.02 0.00 -0.55 0.00 0.00 56.30 54.80 1o6x h ASN 25 Cb 0.40 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 1o6x h ASN 25 CO 0.00 1.65 -0.32 0.25 -1.65 0.00 0.00 177.43 177.36 1o6x h LEU 26 N -0.06 -0.80 -0.67 1.61 6.46 -1.13 0.52 115.31 121.24 1o6x h LEU 26 Ca -0.26 0.04 0.13 0.00 -0.12 0.00 0.00 57.88 57.67 1o6x h LEU 26 Cb 1.97 0.23 -0.13 0.00 -0.73 0.00 0.00 40.66 42.00 1o6x h LEU 26 CO 0.19 -0.50 -0.25 -0.07 -0.62 0.00 0.00 178.44 177.19 1o6x h LEU 27 N -0.80 -0.89 -1.29 2.25 3.38 -1.64 0.96 115.31 117.28 1o6x h LEU 27 Ca -0.07 0.22 0.07 0.00 0.09 0.00 0.00 57.88 58.19 1o6x h LEU 27 Cb 0.64 0.51 -0.05 0.00 0.09 0.00 0.00 40.66 41.84 1o6x h LEU 27 CO 0.08 -0.27 0.52 -0.61 0.09 0.00 0.00 178.44 178.25 1o6x h GLN 28 N -0.07 0.83 0.51 1.13 4.15 -1.36 -1.90 115.11 118.40 1o6x h GLN 28 Ca 0.30 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.64 1o6x h GLN 28 Cb 0.54 -0.19 0.01 0.00 0.21 0.00 0.00 27.48 28.05 1o6x h GLN 28 CO -0.72 0.55 -0.25 1.25 -1.93 0.00 0.00 178.83 177.73 1o6x h LEU 29 N 0.85 -0.58 -1.42 -2.39 5.85 0.59 -2.50 115.31 115.71 1o6x h LEU 29 Ca 0.34 0.02 0.29 0.00 0.84 0.00 0.00 57.88 59.38 1o6x h LEU 29 Cb 0.25 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 1o6x h LEU 29 CO -0.12 -0.31 1.06 -0.08 -0.34 0.00 0.00 178.44 178.65 1o6x h GLU 30 N -0.91 0.00 -0.05 1.25 4.81 0.06 1.48 114.58 121.22 1o6x h GLU 30 Ca -0.07 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 1o6x h GLU 30 Cb 0.53 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1o6x h GLU 30 CO 0.12 0.00 -0.16 0.00 -0.73 0.00 0.00 179.01 178.23 1o6x h ALA 31 N 0.84 0.09 -0.39 2.92 0.00 -1.04 -3.40 119.26 118.28 1o6x h ALA 31 Ca 0.48 -0.37 -0.72 0.00 0.00 0.00 0.00 54.91 54.30 1o6x h ALA 31 Cb 2.59 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 20.35 1o6x h ALA 31 CO -0.01 0.02 0.91 1.04 0.00 0.00 0.00 179.25 181.22 1o6x n GLN 32 N -4.59 0.00 -0.64 0.00 1.13 0.50 -4.65 117.38 109.14 1o6x n GLN 32 Ca -0.08 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.76 1o6x n GLN 32 Cb 0.40 -1.32 -0.03 0.00 0.11 0.00 0.00 30.24 29.41 1o6x n GLN 32 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1o6x n GLU 33 N 5.20 1.42 0.00 -1.09 1.02 -1.26 -1.69 120.64 124.24 1o6x n GLU 33 Ca 0.39 -1.29 0.00 0.00 -0.02 0.00 0.00 57.16 56.23 1o6x n GLU 33 Cb -0.04 -2.44 0.00 0.00 -0.02 0.00 0.00 31.44 28.94 1o6x n GLU 33 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 1o6x n HIS 34 N 5.22 0.00 -1.51 -0.32 1.44 -1.26 -4.96 115.22 113.84 1o6x n HIS 34 Ca 0.36 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.71 1o6x n HIS 34 Cb 0.17 0.00 0.07 0.00 0.12 0.00 0.00 29.99 30.34 1o6x n HIS 34 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1o6x n LEU 35 N -0.67 7.58 -3.39 2.39 4.77 -0.68 -4.86 117.00 122.14 1o6x n LEU 35 Ca 0.00 -4.45 -0.32 0.00 -0.03 0.00 0.00 56.01 51.21 1o6x n LEU 35 Cb 0.00 -0.98 -0.05 0.00 -2.33 0.00 0.00 43.42 40.06 1o6x n LEU 35 CO 0.00 1.57 1.92 1.67 -1.33 0.00 0.00 177.39 181.21 1o6x n GLN 36 N -0.81 1.19 -1.31 3.23 0.00 -1.24 -4.23 117.38 114.20 1o6x n GLN 36 Ca 0.60 -1.40 -0.29 0.00 -0.00 0.00 0.00 57.00 55.90 1o6x n GLN 36 Cb 0.56 -2.59 0.14 0.00 0.00 0.00 0.00 30.24 28.34 1o6x n GLN 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1o6x s LEU 37 N 0.51 2.12 -0.20 1.69 1.02 -1.26 -5.05 118.68 117.51 1o6x s LEU 37 Ca 0.47 1.30 0.00 0.00 0.02 0.00 0.00 54.13 55.92 1o6x s LEU 37 Cb 0.11 -3.69 0.05 0.00 0.02 0.00 0.00 46.19 42.69 1o6x s LEU 37 CO 0.10 -2.62 -0.06 -0.62 0.02 0.00 0.00 176.35 173.17 1o6x s ASP 38 N -3.61 3.36 -0.34 2.29 2.15 -1.26 -4.93 116.67 114.33 1o6x s ASP 38 Ca 0.63 -0.92 -0.17 0.00 0.43 0.00 0.00 52.55 52.52 1o6x s ASP 38 Cb -0.17 -1.08 -0.01 0.00 -0.30 0.00 0.00 42.92 41.36 1o6x s ASP 38 CO 0.56 -0.20 0.48 -0.36 -0.17 0.00 0.00 175.17 175.48 1o6x s PHE 39 N 1.49 3.20 0.15 -5.34 0.08 -1.26 -3.01 117.98 113.28 1o6x s PHE 39 Ca -0.02 0.19 -0.22 0.00 0.12 0.00 0.00 56.93 57.00 1o6x s PHE 39 Cb -0.17 -2.84 0.02 0.00 -0.57 0.00 0.00 43.02 39.46 1o6x s PHE 39 CO -0.07 -0.48 1.63 -1.49 -0.10 0.00 0.00 175.22 174.71 1o6x h TRP 40 N 8.41 -0.62 -3.22 0.36 4.06 -1.79 -3.20 115.95 119.95 1o6x h TRP 40 Ca -0.28 0.04 -0.65 0.00 2.06 0.00 0.00 58.89 60.05 1o6x h TRP 40 Cb 1.13 0.31 -0.40 0.00 -1.00 0.00 0.00 29.16 29.20 1o6x h TRP 40 CO 0.72 -0.31 -0.44 -1.59 -3.56 0.00 0.00 178.44 173.26 1o6x s LYS 41 N -6.09 2.61 0.03 0.49 -2.85 -1.26 -5.02 119.74 107.65 1o6x s LYS 41 Ca -0.15 -3.17 -0.32 0.00 -1.00 0.00 0.00 55.97 51.33 1o6x s LYS 41 Cb 0.12 -3.57 -0.16 0.00 -2.06 0.00 0.00 37.83 32.16 1o6x s LYS 41 CO 0.68 -1.25 0.81 -1.13 0.10 0.00 0.00 175.35 174.56 1o6x n SER 42 N 2.33 -0.22 -2.66 0.03 3.41 -1.21 -4.50 113.62 110.80 1o6x n SER 42 Ca 0.17 0.97 -0.19 0.00 -0.26 0.00 0.00 58.87 59.57 1o6x n SER 42 Cb 0.35 -0.78 -0.08 0.00 -0.26 0.00 0.00 64.21 63.45 1o6x n SER 42 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1o6x n PRO 43 N 1.18 2.12 0.03 4.33 -0.04 -1.26 -4.62 135.00 136.73 1o6x n PRO 43 Ca 0.17 -1.24 -0.15 0.00 -0.04 0.00 0.00 63.50 62.23 1o6x n PRO 43 Cb 0.10 -2.22 -0.10 0.00 -0.04 0.00 0.00 33.50 31.23 1o6x n PRO 43 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1o6x h THR 44 N 2.73 0.00 -2.07 0.52 2.02 -1.89 -3.43 112.91 110.79 1o6x h THR 44 Ca 0.39 0.00 -0.57 0.00 0.77 0.00 0.00 66.41 67.00 1o6x h THR 44 Cb 0.69 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.00 1o6x h THR 44 CO 0.92 0.00 -0.64 0.42 0.37 0.00 0.00 175.52 176.59 1o6x s THR 45 N -5.69 2.97 0.36 3.16 -4.23 -1.26 -5.06 115.64 105.89 1o6x s THR 45 Ca -0.15 -1.98 -0.26 0.00 -1.18 0.00 0.00 61.69 58.11 1o6x s THR 45 Cb 0.07 -2.76 -0.09 0.00 1.34 0.00 0.00 72.50 71.05 1o6x s THR 45 CO 0.60 -0.30 1.06 -2.16 -0.54 0.00 0.00 174.62 173.29 1o6x s PRO 46 N -3.68 4.31 0.00 3.99 0.04 -1.26 -3.57 135.00 134.83 1o6x s PRO 46 Ca 0.33 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1o6x s PRO 46 Cb -0.04 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.77 1o6x s PRO 46 CO 0.19 -0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.61 1o6x n GLY 47 N 0.60 1.90 3.45 0.56 0.00 -1.25 -4.94 105.19 105.51 1o6x n GLY 47 Ca 0.03 -0.04 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1o6x n GLY 47 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1o6x s GLU 48 N 0.00 3.15 0.82 1.61 -1.05 -1.23 -4.96 118.70 117.04 1o6x s GLU 48 Ca 0.00 -0.83 -0.14 0.00 -0.15 0.00 0.00 54.97 53.86 1o6x s GLU 48 Cb 0.00 -4.16 0.04 0.00 -0.44 0.00 0.00 34.13 29.57 1o6x s GLU 48 CO 0.00 -1.51 0.81 0.25 0.95 0.00 0.00 175.26 175.76 1o6x n THR 49 N 5.81 1.37 -4.43 1.83 -2.24 -1.26 -4.70 114.28 110.67 1o6x n THR 49 Ca -0.05 -0.25 -0.27 0.00 -2.27 0.00 0.00 64.05 61.22 1o6x n THR 49 Cb 0.45 -0.91 -0.12 0.00 -2.10 0.00 0.00 70.33 67.65 1o6x n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o6x s ALA 50 N -2.15 2.55 -0.32 6.98 0.00 -0.17 -4.81 121.76 123.84 1o6x s ALA 50 Ca 0.67 -1.66 -0.01 0.00 0.00 0.00 0.00 51.96 50.96 1o6x s ALA 50 Cb -0.29 -0.33 0.13 0.00 0.00 0.00 0.00 23.12 22.64 1o6x s ALA 50 CO 0.57 0.42 0.25 -1.01 0.00 0.00 0.00 175.76 175.99 1o6x s HIS 51 N -1.74 -0.01 -0.04 0.00 3.76 -1.25 -1.36 115.29 114.65 1o6x s HIS 51 Ca 0.21 -0.75 -0.00 0.00 -0.15 0.00 0.00 55.06 54.37 1o6x s HIS 51 Cb -0.08 -0.65 -0.03 0.00 1.11 0.00 0.00 32.58 32.93 1o6x s HIS 51 CO 0.10 -0.89 0.01 0.54 -0.85 0.00 0.00 174.74 173.65 1o6x s VAL 52 N 1.87 4.30 -1.13 -0.90 0.11 -1.24 -1.96 120.40 121.46 1o6x s VAL 52 Ca 0.12 -0.40 -0.16 0.00 -2.93 0.00 0.00 61.98 58.61 1o6x s VAL 52 Cb -0.16 -2.87 0.14 0.00 -1.53 0.00 0.00 36.38 31.96 1o6x s VAL 52 CO -0.22 0.49 1.38 -0.60 -3.33 0.00 0.00 175.10 172.82 1o6x s ARG 53 N -1.24 3.91 0.20 1.54 3.52 -1.16 -2.91 118.95 122.81 1o6x s ARG 53 Ca 0.17 -2.20 -0.20 0.00 -0.13 0.00 0.00 55.73 53.37 1o6x s ARG 53 Cb -0.11 -5.10 -0.08 0.00 -1.56 0.00 0.00 34.95 28.10 1o6x s ARG 53 CO 0.07 -1.85 0.71 0.54 -0.81 0.00 0.00 175.30 173.96 1o6x s VAL 54 N 2.40 4.57 0.16 7.11 0.11 0.19 -4.68 120.40 130.26 1o6x s VAL 54 Ca 0.41 1.30 -0.30 0.00 -2.93 0.00 0.00 61.98 60.47 1o6x s VAL 54 Cb -0.02 -3.88 -0.07 0.00 -1.53 0.00 0.00 36.38 30.87 1o6x s VAL 54 CO -0.02 0.26 1.12 -2.16 -3.33 0.00 0.00 175.10 170.97 1o6x s PRO 55 N -1.84 4.56 0.37 1.54 0.04 -1.26 0.47 135.00 138.87 1o6x s PRO 55 Ca 0.41 1.74 0.15 0.00 0.04 0.00 0.00 61.00 63.34 1o6x s PRO 55 Cb -0.17 -3.29 1.02 0.00 0.04 0.00 0.00 34.50 32.10 1o6x s PRO 55 CO 0.21 0.01 1.75 0.35 0.04 0.00 0.00 177.00 179.36 1o6x h PHE 56 N 5.38 0.80 0.00 0.56 3.04 -1.82 2.51 116.94 127.41 1o6x h PHE 56 Ca -0.44 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.54 1o6x h PHE 56 Cb 1.21 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 39.49 1o6x h PHE 56 CO 0.63 0.06 0.00 -0.24 -2.02 0.00 0.00 178.31 176.74 1o6x h VAL 57 N 0.47 0.00 0.00 1.41 3.04 -1.91 -1.90 116.25 117.36 1o6x h VAL 57 Ca 0.62 -0.35 0.00 0.00 -1.01 0.00 0.00 66.70 65.95 1o6x h VAL 57 Cb 1.41 1.29 0.00 0.00 -2.01 0.00 0.00 31.29 31.97 1o6x h VAL 57 CO -0.37 0.00 -0.02 -3.20 -1.01 0.00 0.00 177.57 172.97 1o6x n ASN 58 N -2.91 2.00 0.09 3.17 2.85 0.71 -4.61 115.26 116.56 1o6x n ASN 58 Ca 0.00 -2.42 -0.04 0.00 -0.11 0.00 0.00 54.58 52.00 1o6x n ASN 58 Cb 0.24 -0.19 0.01 0.00 1.24 0.00 0.00 39.78 41.08 1o6x n ASN 58 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1o6x h VAL 59 N 0.36 1.58 0.35 3.44 2.07 0.35 -3.08 116.25 121.31 1o6x h VAL 59 Ca 0.00 -2.85 -0.02 0.00 0.82 0.00 0.00 66.70 64.65 1o6x h VAL 59 Cb 0.76 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1o6x h VAL 59 CO 0.00 0.81 -0.17 -0.61 0.02 0.00 0.00 177.57 177.62 1o6x h GLN 60 N 0.00 -0.46 -0.99 1.57 5.75 -1.82 0.26 115.11 119.42 1o6x h GLN 60 Ca -0.01 0.03 0.35 0.00 -0.15 0.00 0.00 58.65 58.88 1o6x h GLN 60 Cb 1.48 0.10 -0.17 0.00 1.07 0.00 0.00 27.48 29.97 1o6x h GLN 60 CO 0.11 -0.30 0.48 0.00 -2.65 0.00 0.00 178.83 176.47 1o6x h ALA 61 N -1.44 1.93 -0.12 3.38 0.00 -1.87 1.33 119.26 122.47 1o6x h ALA 61 Ca -0.05 0.24 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1o6x h ALA 61 Cb 0.36 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1o6x h ALA 61 CO 0.08 -0.73 -0.28 0.28 0.00 0.00 0.00 179.25 178.59 1o6x h VAL 62 N 0.14 1.38 -0.63 0.00 2.07 -1.52 -1.17 116.25 116.52 1o6x h VAL 62 Ca 0.76 -1.57 0.10 0.00 0.82 0.00 0.00 66.70 66.81 1o6x h VAL 62 Cb 1.85 2.08 -0.04 0.00 -1.52 0.00 0.00 31.29 33.66 1o6x h VAL 62 CO -0.71 0.46 0.42 0.11 0.02 0.00 0.00 177.57 177.88 1o6x h LYS 63 N -0.01 0.44 -0.04 1.57 1.79 0.50 0.16 116.57 120.98 1o6x h LYS 63 Ca -0.00 -0.03 -0.22 0.00 -2.18 0.00 0.00 60.65 58.22 1o6x h LYS 63 Cb 0.89 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 1o6x h LYS 63 CO 0.06 0.29 -0.87 0.28 -1.08 0.00 0.00 179.45 178.13 1o6x h VAL 64 N 0.46 1.36 0.60 0.50 2.07 0.48 -2.91 116.25 118.81 1o6x h VAL 64 Ca 0.29 -2.27 -0.03 0.00 0.82 0.00 0.00 66.70 65.52 1o6x h VAL 64 Cb 0.54 2.26 0.01 0.00 -1.52 0.00 0.00 31.29 32.58 1o6x h VAL 64 CO -0.09 0.69 -0.29 0.15 0.02 0.00 0.00 177.57 178.05 1o6x h PHE 65 N 0.31 -0.75 -0.06 1.57 3.57 0.51 0.15 116.94 122.24 1o6x h PHE 65 Ca -0.07 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.45 1o6x h PHE 65 Cb 1.49 0.25 -0.06 0.00 2.79 0.00 0.00 35.95 40.42 1o6x h PHE 65 CO 0.07 -0.45 -0.45 -0.07 -2.23 0.00 0.00 178.31 175.17 1o6x h LEU 66 N -0.85 -1.40 -0.85 0.59 3.38 -1.10 0.11 115.31 115.19 1o6x h LEU 66 Ca -0.08 0.17 0.15 0.00 0.09 0.00 0.00 57.88 58.21 1o6x h LEU 66 Cb 0.64 0.55 -0.10 0.00 0.09 0.00 0.00 40.66 41.84 1o6x h LEU 66 CO 0.14 -0.46 0.43 -0.08 0.09 0.00 0.00 178.44 178.55 1o6x h GLU 67 N -0.56 0.58 -1.00 1.13 4.22 -1.46 0.22 114.58 117.70 1o6x h GLU 67 Ca 0.05 -0.03 0.06 0.00 0.08 0.00 0.00 59.36 59.51 1o6x h GLU 67 Cb 0.66 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.72 1o6x h GLU 67 CO -0.37 0.38 0.65 1.03 -2.18 0.00 0.00 179.01 178.52 1o6x h SER 68 N 0.59 1.05 -0.33 1.04 0.87 0.12 0.15 113.55 117.04 1o6x h SER 68 Ca 0.47 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.94 1o6x h SER 68 Cb 0.69 -0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 62.37 1o6x h SER 68 CO -0.38 0.68 0.11 0.00 -0.53 0.00 0.00 176.83 176.72 1o6x n GLN 69 N -4.48 2.32 -3.92 2.24 10.64 0.70 -4.88 117.38 119.99 1o6x n GLN 69 Ca 0.15 -1.40 -0.24 0.00 -1.83 0.00 0.00 57.00 53.67 1o6x n GLN 69 Cb 0.16 -1.73 -0.08 0.00 -0.86 0.00 0.00 30.24 27.73 1o6x n GLN 69 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1o6x n GLY 70 N 0.09 -0.10 3.98 2.61 0.00 0.54 -4.83 105.19 107.48 1o6x n GLY 70 Ca 0.18 0.14 -0.20 0.00 0.00 0.00 0.00 46.02 46.14 1o6x n GLY 70 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1o6x s ILE 71 N -4.06 2.45 -0.17 -0.61 2.07 -0.73 -5.02 121.20 115.12 1o6x s ILE 71 Ca 0.01 -1.12 0.01 0.00 -1.41 0.00 0.00 60.65 58.14 1o6x s ILE 71 Cb -0.01 -2.56 0.03 0.00 0.13 0.00 0.00 42.46 40.05 1o6x s ILE 71 CO 0.78 0.00 -0.15 0.00 -1.91 0.00 0.00 174.94 173.66 1o6x s ALA 72 N -2.55 2.08 0.08 1.50 0.00 -1.26 -4.64 121.76 116.96 1o6x s ALA 72 Ca 0.54 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1o6x s ALA 72 Cb -0.06 -1.16 -0.00 0.00 0.00 0.00 0.00 23.12 21.90 1o6x s ALA 72 CO 0.33 -0.48 0.02 2.48 0.00 0.00 0.00 175.76 178.11 1o6x n TYR 73 N 4.69 0.08 -3.53 0.00 4.11 -1.26 -1.33 117.16 119.92 1o6x n TYR 73 Ca -0.18 -0.45 -0.18 0.00 -0.00 0.00 0.00 57.90 57.09 1o6x n TYR 73 Cb 0.49 -0.02 -0.06 0.00 -0.00 0.00 0.00 39.34 39.75 1o6x n TYR 73 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1o6x s SER 74 N -1.46 -0.64 -0.36 9.48 0.15 0.35 -4.92 113.70 116.30 1o6x s SER 74 Ca 0.02 0.70 -0.13 0.00 0.70 0.00 0.00 55.95 57.24 1o6x s SER 74 Cb 0.00 0.54 -0.00 0.00 -1.71 0.00 0.00 66.02 64.85 1o6x s SER 74 CO 0.02 -0.60 0.25 -0.63 1.20 0.00 0.00 173.24 173.48 1o6x s ILE 75 N -1.18 5.20 0.00 6.45 1.09 -1.26 0.46 121.20 131.96 1o6x s ILE 75 Ca -0.11 -0.40 0.00 0.00 -1.10 0.00 0.00 60.65 59.04 1o6x s ILE 75 Cb -0.00 -3.75 0.00 0.00 -1.06 0.00 0.00 42.46 37.64 1o6x s ILE 75 CO 0.10 -0.11 0.00 0.80 -0.10 0.00 0.00 174.94 175.62 1o6x n MET 76 N 5.11 0.00 -1.96 2.79 0.00 -1.22 -4.95 117.12 116.89 1o6x n MET 76 Ca -0.12 0.00 -0.29 0.00 -0.00 0.00 0.00 57.70 57.29 1o6x n MET 76 Cb 0.49 0.00 0.13 0.00 0.00 0.00 0.00 33.22 33.84 1o6x n MET 76 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 175.97 176.93 1o6x s ILE 77 N 0.02 2.02 0.00 1.12 -4.36 -1.26 -5.04 121.20 113.71 1o6x s ILE 77 Ca 0.00 -0.04 0.00 0.00 -0.26 0.00 0.00 60.65 60.35 1o6x s ILE 77 Cb 0.00 -2.99 0.00 0.00 1.25 0.00 0.00 42.46 40.72 1o6x s ILE 77 CO 0.00 0.00 0.00 1.21 0.24 0.00 0.00 174.94 176.39 1o6x n GLU 78 N -3.49 0.00 -2.68 0.37 2.13 -1.26 -4.51 120.64 111.20 1o6x n GLU 78 Ca 0.12 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.89 1o6x n GLU 78 Cb 0.60 0.00 0.05 0.00 0.27 0.00 0.00 31.44 32.36 1o6x n GLU 78 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1o6x n ASP 79 N 0.00 -1.49 -4.47 4.31 2.03 -1.26 -4.90 116.55 110.77 1o6x n ASP 79 Ca 0.00 -2.07 -0.39 0.00 0.52 0.00 0.00 54.79 52.85 1o6x n ASP 79 Cb 0.00 1.07 -0.11 0.00 -0.72 0.00 0.00 41.12 41.36 1o6x n ASP 79 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1o6x s VAL 80 N 0.11 4.78 -0.91 5.18 0.11 -1.26 -4.94 120.40 123.47 1o6x s VAL 80 Ca 0.12 -0.33 0.00 0.00 -2.93 0.00 0.00 61.98 58.84 1o6x s VAL 80 Cb 0.22 -3.42 0.00 0.00 -1.53 0.00 0.00 36.38 31.64 1o6x s VAL 80 CO -0.06 0.07 0.23 0.00 -3.33 0.00 0.00 175.10 172.01